2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine

C16H30N2O — CID 55160451

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1COC(CNCCN2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C16H30N2O/c1-2-6-16(5-1)7-10-18(11-8-16)12-9-17-14-15-4-3-13-19-15/h15,17H,1-14H2
InChIKeyVQKTTWCFMRHLIZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds5

About 2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine

2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 55160451) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID55160451
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1COC(CNCCN2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C16H30N2O/c1-2-6-16(5-1)7-10-18(11-8-16)12-9-17-14-15-4-3-13-19-15/h15,17H,1-14H2
InChIKeyVQKTTWCFMRHLIZ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 55160451) is 2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine is C1COC(CNCCN2CCC3(CCCC3)CC2)C1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is VQKTTWCFMRHLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-6-16(5-1)7-10-18(11-8-16)12-9-17-14-15-4-3-13-19-15/h15,17H,1-14H2.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine?
2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 55160451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).